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SCHEMBL14282674

SCHEMBL14282674

C=CCCCOc1ccc(OC/C=C/C(=O)Oc2cc3c4cc(OC(=O)/C=C/COc5ccc(OCCCC=C)cc5)c(OC(=O)/C=C/COc5ccc(OCCCC=C)cc5)cc4c4cc(OC(=O)/C=C/COc5ccc(OCCCC=C)cc5)c(OC(=O)/C=C/COc5ccc(OCCCC=C)cc5)cc4c3cc2OC(=O)/C=C/COc2ccc(OCCCC=C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HTT P42858 2/20 0.35
▸ SLC5A1 P13866 1/20 0.35
▸ SLC5A2 P31639 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH2 P05091 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LSS P48449 1/20 0.33
▸ CYSLTR2 Q9NS75 1/20 0.33
▸ CYSLTR1 Q9Y271 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14282668 0.87 TP53 (0.41) SMN1; SMN2HDAC10HDAC6KDM4E
SCHEMBL14282673 0.86 THRB (0.46) ALDH1A1L3MBTL1HTTHPGDMAPT
SCHEMBL14282672 0.86 THRB (0.46) ALDH1A1L3MBTL1HTTSLC5A1SLC5A2
SCHEMBL14282669 0.85 THRB (0.53) ALDH1A1L3MBTL1HTTSLC5A1SLC5A2
SCHEMBL14282665 0.84 PLK1 (0.44) ALDH1A1L3MBTL1HTTMAPTNPC1
SCHEMBL14282666 0.84 POLB (0.42) ALDH1A1HTTSLC5A1SLC5A2MAPT
SCHEMBL14282667 0.84 TP53 (0.48) NPC1SMN1; SMN2
SCHEMBL14282671 0.80 PRKAB2 (0.32) ALDH1A1L3MBTL1PKM
SCHEMBL14282676 0.80 THRB (0.44) ALDH1A1HPGDMAPTTHRBSMN1; SMN2
SCHEMBL14282677 0.77 THRB (0.49) ALDH1A1L3MBTL1MAPTTHRBNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314654-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2008-01-01 — — US disclosed
US-7314654-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2008-01-01 — — US disclosed
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